4-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine Formula: C28H33N4O+ MolecularWeight: 441.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4CCC=CC4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)C[C@H]4CCC=CC4)C5=CC=NC=C5

InChI

InChI=1S/C28H32N4O/c1-33-25-9-5-8-24(18-25)26-19-30-28(23-10-14-29-15-11-23)31-27(26)22-12-16-32(17-13-22)20-21-6-3-2-4-7-21/h2-3,5,8-11,14-15,18-19,21-22H,4,6-7,12-13,16-17,20H2,1H3/p+1/t21-/m1/s1